SCHEMBL9950713

SCHEMBL9950713

CC(CO)NC1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.40
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
ATM Q13315 1/20 0.36
CYP1A2 P05177 1/20 0.36
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC6A4 P31645 1/20 0.34
EPHX2 P34913 2/20 0.34
CYP2D6 P10635 1/20 0.34
CASP6 P55212 1/20 0.33
KMT2A Q03164 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1168484 0.98 EPHX1 (0.43) EPHX1GAAL3MBTL1HTTKDM4E
SCHEMBL7786057 0.98 EPHX1 (0.43) EPHX1GAAL3MBTL1HTTKDM4E
SCHEMBL4628123 0.98 EPHX1 (0.43) EPHX1GAAL3MBTL1HTTKDM4E
Hydrochloric Acid SCHEMBL18554671 0.96 EPHX1 (0.42) EPHX1GAAL3MBTL1HTTKDM4E
SCHEMBL17743405 0.95
SCHEMBL31491232 0.90
SCHEMBL15592922 0.86 KMT2A (0.35) EPHX1GAAHTTKDM4EALDH1A1
SCHEMBL15188477 0.82 SLC6A4 (0.36) EPHX1ALDH1A1RAB9ASMN1; SMN2SLC6A4
SCHEMBL21227842 0.80 SMYD3 (0.41) SLC6A4KMT2A
SCHEMBL21228001 0.80 SMYD3 (0.41) SLC6A4KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2705894-B1 Acid gas absorbent, acid gas removal method and acid gas removal device TOSHIBA KK (JP) 2018-05-23 EP disclosed
EP-2468385-B1 Acid gas absorbent, acid gas removal method and acid gas removal device TOSHIBA KK (JP) 2016-11-02 EP disclosed
US-9409119-B2 Acid gas absorbent, acid gas removal method, and acid gas removal device KABUSHIKI KAISHA TOSHIBA (JP) 2016-08-09 US disclosed
EP-2705894-A1 Acid gas absorbent, acid gas removal method and acid gas removal device Kabushiki Kaisha Toshiba (JP) 2014-03-12 EP disclosed
US-20120161071-A1 ACID GAS ABSORBENT, ACID GAS REMOVAL METHOD, AND ACID GAS REMOVAL DEVICE KABUSHIKI KAISHA TOSHIBA (JP) 2012-06-28 US disclosed
EP-2468385-A2 Acid gas absorbent, acid gas removal method and acid gas removal device Kabushiki Kaisha Toshiba (JP) 2012-06-27 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120161071-A1 ACID GAS ABSORBENT, ACID GAS REMOVAL METHOD, AND ACID GAS REMOVAL DEVICE ALKBH1, ALKBH3, ALKBH2 EPHX1 133/4885GAA 2697/4885L3MBTL1 931/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.